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We study the transport through a molecular junction exhibiting interference effects. We show that these effects can still be observed in the presence of molecular vibrations if Coulomb repulsion is taken into account. In the Kondo regime,…

Strongly Correlated Electrons · Physics 2019-09-04 P. Roura-Bas , F. Güller , L. Tosi , A. A. Aligia

We analyze quantum interference and decoherence effects in single-molecule junctions both experimentally and theoretically by means of the mechanically controlled break junction technique and density-functional theory. We consider the case…

Mesoscale and Nanoscale Physics · Physics 2012-09-26 Stefan Ballmann , Rainer Härtle , Pedro B. Coto , Marcel Mayor , Mark Elbing , Martin R. Bryce , Michael Thoss , Heiko B. Weber

Destructive quantum interference in electron transport through molecules provides an unconventional route for suppressing electric current. In this work we introduce "interference vectors" for each interference and use them to characterize…

Mesoscale and Nanoscale Physics · Physics 2017-07-20 Panu Sam-ang , Matthew G. Reuter

Quantum interference effects and decoherence mechanisms in single-molecule junctions are analyzed employing a nonequilibrium Green's function approach. Electrons tunneling through quasi-degenerate states of a nanoscale molecular junction…

Mesoscale and Nanoscale Physics · Physics 2011-07-25 R. Härtle , M. Butzin , O. Rubio-Pons , M. Thoss

Using the tight-binding model and the generalized Green's function formalism, the effect of quantum interference on the electron transport through the benzene molecule in a semiconductor/benzene/semiconductor junction is numerically…

Mesoscale and Nanoscale Physics · Physics 2016-08-09 Javad Vahedi , Zahra Sartipi

We investigate the interplay of quantum interference effects and electronic-vibrational coupling in electron transport through single-molecule junctions, employing a nonequilibrium Green's function approach. Our findings show that inelastic…

Mesoscale and Nanoscale Physics · Physics 2013-02-18 R. Härtle , M. Butzin , M. Thoss

The influence of molecular vibration on the Seebeck coefficient is studied within a simple model. Results of a scattering theory approach are compared to those of a full self-consistent non-equilibrium Green's function scheme. We show, for…

Mesoscale and Nanoscale Physics · Physics 2008-06-18 Michael Galperin , Abraham Nitzan , Mark A. Ratner

We theoretically study the nonequilibrium thermoelectric transport properties of a strongly-correlated molecule (or quantum dot) embedded in a tunnel junction. Assuming that the coupling of the molecule to the contacts is asymmetric, we…

Mesoscale and Nanoscale Physics · Physics 2023-02-22 Anand Manaparambil , Ireneusz Weymann

An analytic approach to the electron transport phenomena in molecular devices is presented. Analyzed devices are composed of organic molecules attached to the two semi-infinite electrodes. Molecular system is described within the…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Kamil Walczak

Molecular electronics offers unique scientific and technological possibilities, resulting from both the nanometre scale of the devices and their reproducible chemical complexity. Two fundamental yet different effects, with no classical…

Mesoscale and Nanoscale Physics · Physics 2017-05-12 Andrew K. Mitchell , Kim G. L. Pedersen , Per Hedegaard , Jens Paaske

As the dimensions of a conductor approach the nano-scale, quantum effects will begin to dominate its behavior. This entails the exciting possibility of controlling the conductance of a device by direct manipulation of the electron wave…

The quantum interference and orbital filling effects on the thermoelectric (TE) properties of quantum dot molecules with high figure of merit are illustrated via the full solution to the Hubbard- Anderson model in the Coulomb blockade…

Mesoscale and Nanoscale Physics · Physics 2015-07-02 Chih-Chieh Chen , David M T Kuo , Yia Chung Chang

We study charge and energy transfer in two-site molecular electronic junctions in which electron transport is assisted by a vibrational mode. To understand the role of mode harmonicity/anharmonicity on transport behavior, we consider two…

Mesoscale and Nanoscale Physics · Physics 2015-09-01 Bijay Kumar Agarwalla , Jian-Hua Jiang , Dvira Segal

Coherent electronic transport through individual molecules is crucially sensitive to quantum interference. Using exact diagonalization techniques, we investigate the zero-bias and zero-temperature conductance through $\pi$-conjugated…

Strongly Correlated Electrons · Physics 2015-05-14 Julian Rincon , K. Hallberg , S. Ramasesha

While thermoelectric transport theory is well established and widely applied, there remains some degree of confusion on the proper thermodynamic definition of the Seebeck coefficient (or thermoelectric power) which is a measure of the…

Materials Science · Physics 2016-04-05 Y. Apertet , H. Ouerdane , C. Goupil , Ph. Lecoeur

We report first-principles calculations of inelastic Seebeck coefficients in an aluminum monatomic junction. We compare the elastic and inelastic Seebeck coefficients with and without local heating. In the low temperature regime, the…

Mesoscale and Nanoscale Physics · Physics 2011-01-27 Bailey C. Hsu , Yu-Shen Liu , Sheng Hsien Lin , Yu-Chang Chen

Destructive quantum interference in single molecule electronics is an intriguing phe- nomenon; however, distinguishing quantum interference effects from generically low transmission is not trivial. In this paper, we discuss how quantum…

Mesoscale and Nanoscale Physics · Physics 2014-10-01 Jacob Lykkebo , Alessio Gagliardi , Alessandro Pecchia , Gemma C. Solomon

We discuss galvanomagnetic and thermomagnetic effects in disordered electronic systems focusing on intermediate temperatures, for which electron-electron scattering and electron-impurity scattering occur at similar rates, while…

Strongly Correlated Electrons · Physics 2021-01-04 Woo-Ram Lee , Alexander Finkel'stein , G. Schwiete

Quantum interference can profoundly affect charge transport in single molecules, but experiments can usually measure only the conductance at the Fermi energy. Because in general the most pronounced features of the quantum interference are…

We theoretically investigate transport signatures of quantum interference in highly symmetric double quantum dots in a parallel geometry and demonstrate that extremely weak symmetry-breaking effects can have a dramatic influence on the…

Mesoscale and Nanoscale Physics · Physics 2019-03-06 Zeng-Zhao Li , Martin Leijnse
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